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Home > Pyridines > 1784431-06-6
1784431-06-6 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, 4-chloro-
CAS No: 1784431-06-6 Catalog No: AG002621 MDL No:
Product Description
Catalog Number:
AG002621
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, 4-chloro-
CAS Number:
1784431-06-6
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
InChI:
InChI=1S/C8H6ClN3O/c9-5-1-2-11-8-6(5)4(3-12-8)7(10)13/h1-3H,(H2,10,13)(H,11,12)
InChI Key:
BIGMKLPXNQJQMH-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[nH]c2c1c(Cl)ccn2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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